SMTL ID : 1mqm.1 (2 other biounits)

BHA/LSTa

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.60 Å

Oligo State

hetero-3-3-mer

Ligands

2 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG.1: 3 residues within 4Å: Chain A: N.81, E.119, F.120 No protein-ligand interaction detected (PLIP) NAG-NAG.3: 6 residues within 4Å: Chain A: S.45, N.285, V.297, N.298, K.299 Chain B: E.69 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:K.299, A:K.299

3 x NAG- NAG- BMA- MAN: alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG-BMA-MAN.2: 6 residues within 4Å: Chain A: N.165, T.167, R.207 Chain E: S.219, P.221, W.222 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:W.222 NAG-NAG-BMA-MAN.5: 5 residues within 4Å: Chain A: S.219, P.221, W.222 Chain C: N.165, T.167 2 PLIP interactions: 1 interactions with chain C, 1 interactions with chain A Hydrophobic interactions: C:T.167 Hydrogen bonds: A:W.222 NAG-NAG-BMA-MAN.7: 5 residues within 4Å: Chain C: S.219, P.221, W.222 Chain E: N.165, T.167 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:W.222

2 x NAG- GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-GAL-SIA.4: 10 residues within 4Å: Chain A: Y.98, G.134, G.135, S.136, S.137, W.153, H.183, E.190, L.194, Q.226 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:E.190, A:Q.226, A:Q.226, A:Y.98, A:G.135, A:S.137, A:E.190, A:Q.226, A:Q.226 NAG-GAL-SIA.6: 11 residues within 4Å: Chain C: Y.98, G.135, S.136, S.137, W.153, T.155, H.183, E.190, L.194, Q.226, G.228 8 PLIP interactions: 8 interactions with chain C Hydrogen bonds: C:Q.226, C:Q.226, C:Y.98, C:G.135, C:S.137, C:H.183, C:Q.226, C:Q.226 Hydrophobic interactions: C:W.153, C:T.155

1 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose(Post Translational Modification)

GAL-SIA.8: 9 residues within 4Å: Chain E: Y.98, G.135, S.136, S.137, W.153, H.183, E.190, L.194, Q.226 6 PLIP interactions: 6 interactions with chain E Hydrogen bonds: E:Q.226, E:Q.226, E:Y.98, E:G.135, E:S.137, E:E.190, E:Q.226 Hydrophobic interactions: E:W.153

9 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)(Non-covalent)

NAG.9: 3 residues within 4Å: Chain A: N.38, T.318 Chain B: L.52 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.38, A:T.318 NAG.10: 5 residues within 4Å: Chain B: A.147, E.150, S.151, N.154, T.156 No protein-ligand interaction detected (PLIP) NAG.11: 3 residues within 4Å: Chain C: N.38, T.318 Chain D: L.52 4 PLIP interactions: 3 interactions with chain C, 1 interactions with chain D Hydrophobic interactions: C:T.318, D:L.52 Hydrogen bonds: C:N.38, C:T.318 NAG.12: 3 residues within 4Å: Chain C: N.81, F.120, I.121 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.81 NAG.13: 5 residues within 4Å: Chain D: A.147, E.150, S.151, N.154, T.156 No protein-ligand interaction detected (PLIP) NAG.14: 3 residues within 4Å: Chain E: T.24, N.38, A.39 3 PLIP interactions: 3 interactions with chain E Hydrogen bonds: E:T.24, E:N.38, E:A.39 NAG.15: 4 residues within 4Å: Chain E: Q.80, N.81, E.119, F.120 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.81 NAG.16: 4 residues within 4Å: Chain E: N.285, V.297, N.298 Chain F: E.69 4 PLIP interactions: 1 interactions with chain F, 3 interactions with chain E Hydrogen bonds: F:E.69, E:N.285, E:N.298 Hydrophobic interactions: E:V.297 NAG.17: 5 residues within 4Å: Chain F: A.147, E.150, S.151, N.154, T.156 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ha, Y. et al., X-ray structure of the hemagglutinin of a potential H3 avian progenitor of the 1968 Hong Kong pandemic influenza virus. Virology (2003)

Release Date

2003-08-26

Peptides

Hemagglutinin HA1 chain: ACE
Hemagglutinin HA2 chain: BDF

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
D

E
G

B
B

D
E

F
H

Hemagglutinin HA1 chain

Hemagglutinin HA2 chain

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